| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:35 UTC |
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| Update Date | 2025-03-21 18:33:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097022 |
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| Frequency | 42.4 |
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| Structure | |
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| Chemical Formula | C11H14N3O8P |
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| Molecular Mass | 347.0519 |
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| SMILES | O=P(O)(O)OCC1OC(n2cnc3ccc(O)nc32)C(O)C1O |
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| InChI Key | FXCNJHHHUZMPBD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepolyhalopyridinepentose-5-phosphateimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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